1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine

C₁₀H₁₃N₇O₄ — CID 139214861

About 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine

1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine (PubChem CID 139214861) has the molecular formula C₁₀H₁₃N₇O₄ and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine.

Molecular Properties

• Compound Name: 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine
• PubChem CID: 139214861
• Molecular Formula: C₁₀H₁₃N₇O₄
• Molecular Weight: 295.26 g/mol
• Exact Mass: 295.10
• IUPAC Name: 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine
• SMILES: CCCn1ccc(Nc2c([N+](=O)[O-])c([N+](=O)[O-])nn2C)n1
• InChI: InChI=1S/C10H13N7O4/c1-3-5-15-6-4-7(12-15)11-9-8(16(18)19)10(17(20)21)13-14(9)2/h4,6H,3,5H2,1-2H3,(H,11,12)
• InChIKey: GNOQCQYMEXDZFP-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 133.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.26
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine?

The IUPAC name of 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine (CID 139214861) is 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine.

What is the SMILES notation for 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine?

The canonical SMILES for 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine is CCCn1ccc(Nc2c([N+](=O)[O-])c([N+](=O)[O-])nn2C)n1.

What is the InChIKey of 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine?

The InChIKey is GNOQCQYMEXDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O4/c1-3-5-15-6-4-7(12-15)11-9-8(16(18)19)10(17(20)21)13-14(9)2/h4,6H,3,5H2,1-2H3,(H,11,12).

What are the key properties of 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine?

1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine has a molecular weight of 295.26 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine is sourced from PubChem (CID 139214861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139214861 — identifiers, structure, computed properties (public domain)

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